SCHEMBL8505293

SCHEMBL8505293

C=CC(=O)OCC(OC(=O)C=C)(C1CCCC1)C1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
TP53 P04637 3/20 0.44
HIF1A Q16665 3/20 0.44
CYP3A4 P08684 2/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 6/20 0.36
HSD17B10 Q99714 1/20 0.36
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29001980 0.81 ALDH1A1 (0.48) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL8408097 0.80 THRB (0.35) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL9443506 0.77 ALDH1A1 (0.44) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL27903718 0.77 ALDH1A1 (0.44) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL4325852 0.75 TSHR (0.40) TSHRTHRBHPGD
SCHEMBL4929211 0.73 ALDH1A1 (0.31) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL6066267 0.73 ALDH1A1 (0.31) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL16338051 0.72 THRA (0.33) TSHRTHRB
SCHEMBL9610295 0.72 THRA (0.33) TSHRTHRB
SCHEMBL16181798 0.71 THRB (0.36) ALDH1A1TP53HIF1ACYP3A4MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0326977-B1 LIGHT-SENSITIVE REGISTRATION MATERIAL IN THE FORM OF A SHEET BASF Aktiengesellschaft (DE) 1992-08-26 EP claimed
US-5929130-A COMPOSITION COMPRISING MIXTURE OF UNSATURATED URETHANE AND VINYL MONOMER AS PHOTOCURABLE LIQUID AND MIXTURE OF INORGANIC FINE PARTICLES AND INORGANIC WHISKERS AS FILLER TAKEMOTO YUSHI KABUSHIKI KAISHA & TEIJIN SEIKI CO., LTD. (JP) 1999-07-27 US disclosed
EP-0326977-B1 LIGHT-SENSITIVE REGISTRATION MATERIAL IN THE FORM OF A SHEET BASF Aktiengesellschaft (DE) 1992-08-26 EP disclosed